USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 136:sc= -7.24! (180deg=-13.9!) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0 (180deg=-0.129) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 12 SER OG : rot 75:sc= 1.22 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -6:sc= 1 USER MOD Single : A 19 MET CE :methyl -177:sc= -5.02! (180deg=-5.51!) USER MOD Single : A 20 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.32) USER MOD Single : A 22 ASN : amide:sc= -0.931 K(o=-0.93,f=-3!) USER MOD Single : A 31 ASN : amide:sc= -1.35 X(o=-1.4,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -51:sc= 0.824 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot -60:sc= 0.998 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.267 -4.874 -2.158 1.00 0.00 N ATOM 2 CA MET A 1 10.865 -5.035 -2.621 1.00 0.00 C ATOM 3 C MET A 1 10.372 -6.464 -2.403 1.00 0.00 C ATOM 4 O MET A 1 9.495 -6.709 -1.574 1.00 0.00 O ATOM 5 CB MET A 1 10.797 -4.671 -4.108 1.00 0.00 C ATOM 6 CG MET A 1 9.572 -3.851 -4.478 1.00 0.00 C ATOM 7 SD MET A 1 8.026 -4.699 -4.098 1.00 0.00 S ATOM 8 CE MET A 1 7.766 -4.188 -2.402 1.00 0.00 C ATOM 0 H1 MET A 1 12.503 -3.862 -2.111 1.00 0.00 H new ATOM 0 H2 MET A 1 12.372 -5.298 -1.214 1.00 0.00 H new ATOM 0 H3 MET A 1 12.909 -5.349 -2.824 1.00 0.00 H new ATOM 0 HA MET A 1 10.219 -4.374 -2.043 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.693 -4.112 -4.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.803 -5.587 -4.698 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.601 -2.901 -3.945 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.603 -3.620 -5.543 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.721 -3.911 -2.262 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.017 -5.010 -1.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.402 -3.331 -2.179 1.00 0.00 H new ATOM 20 N ARG A 2 10.938 -7.401 -3.156 1.00 0.00 N ATOM 21 CA ARG A 2 10.556 -8.806 -3.051 1.00 0.00 C ATOM 22 C ARG A 2 11.295 -9.504 -1.910 1.00 0.00 C ATOM 23 O ARG A 2 10.800 -10.482 -1.350 1.00 0.00 O ATOM 24 CB ARG A 2 10.836 -9.530 -4.369 1.00 0.00 C ATOM 25 CG ARG A 2 9.915 -10.712 -4.623 1.00 0.00 C ATOM 26 CD ARG A 2 9.981 -11.168 -6.072 1.00 0.00 C ATOM 27 NE ARG A 2 9.037 -12.250 -6.350 1.00 0.00 N ATOM 28 CZ ARG A 2 8.725 -12.674 -7.575 1.00 0.00 C ATOM 29 NH1 ARG A 2 9.275 -12.113 -8.646 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.857 -13.665 -7.729 1.00 0.00 N ATOM 0 H ARG A 2 11.664 -7.213 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 2 9.488 -8.843 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.738 -8.821 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.869 -9.878 -4.370 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.192 -11.538 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.890 -10.437 -4.373 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.768 -10.324 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.993 -11.502 -6.301 1.00 0.00 H new ATOM 0 HE ARG A 2 8.589 -12.709 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.943 -11.350 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.029 -12.445 -9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.430 -14.101 -6.911 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.616 -13.991 -8.665 1.00 0.00 H new ATOM 44 N LYS A 3 12.482 -9.006 -1.576 1.00 0.00 N ATOM 45 CA LYS A 3 13.285 -9.596 -0.509 1.00 0.00 C ATOM 46 C LYS A 3 12.854 -9.081 0.866 1.00 0.00 C ATOM 47 O LYS A 3 13.663 -8.541 1.622 1.00 0.00 O ATOM 48 CB LYS A 3 14.770 -9.300 -0.743 1.00 0.00 C ATOM 49 CG LYS A 3 15.682 -10.468 -0.405 1.00 0.00 C ATOM 50 CD LYS A 3 15.800 -10.667 1.098 1.00 0.00 C ATOM 51 CE LYS A 3 16.940 -11.608 1.447 1.00 0.00 C ATOM 52 NZ LYS A 3 18.184 -10.869 1.797 1.00 0.00 N ATOM 0 H LYS A 3 12.909 -8.197 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 3 13.126 -10.674 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.917 -9.025 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.059 -8.438 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.295 -11.378 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 3 16.671 -10.293 -0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 3 15.961 -9.704 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.864 -11.067 1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.645 -12.240 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 3 17.136 -12.269 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.937 -11.548 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 18.480 -10.285 0.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 18.005 -10.257 2.619 1.00 0.00 H new ATOM 66 N LEU A 4 11.576 -9.259 1.187 1.00 0.00 N ATOM 67 CA LEU A 4 11.041 -8.818 2.472 1.00 0.00 C ATOM 68 C LEU A 4 9.881 -9.707 2.907 1.00 0.00 C ATOM 69 O LEU A 4 9.058 -10.116 2.088 1.00 0.00 O ATOM 70 CB LEU A 4 10.567 -7.361 2.403 1.00 0.00 C ATOM 71 CG LEU A 4 11.326 -6.458 1.427 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.487 -5.244 1.061 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.656 -6.024 2.026 1.00 0.00 C ATOM 0 H LEU A 4 10.892 -9.705 0.576 1.00 0.00 H new ATOM 0 HA LEU A 4 11.845 -8.892 3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.512 -7.355 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.640 -6.928 3.401 1.00 0.00 H new ATOM 0 HG LEU A 4 11.526 -7.026 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.043 -4.614 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.559 -5.571 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.257 -4.676 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.182 -5.383 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.477 -5.474 2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.263 -6.904 2.239 1.00 0.00 H new ATOM 85 N SER A 5 9.815 -9.989 4.202 1.00 0.00 N ATOM 86 CA SER A 5 8.747 -10.817 4.750 1.00 0.00 C ATOM 87 C SER A 5 7.416 -10.089 4.657 1.00 0.00 C ATOM 88 O SER A 5 7.381 -8.866 4.517 1.00 0.00 O ATOM 89 CB SER A 5 9.046 -11.176 6.207 1.00 0.00 C ATOM 90 OG SER A 5 10.440 -11.158 6.461 1.00 0.00 O ATOM 0 H SER A 5 10.488 -9.657 4.893 1.00 0.00 H new ATOM 0 HA SER A 5 8.688 -11.736 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.543 -10.471 6.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.645 -12.165 6.431 1.00 0.00 H new ATOM 0 HG SER A 5 10.605 -11.389 7.399 1.00 0.00 H new ATOM 96 N ASP A 6 6.318 -10.835 4.746 1.00 0.00 N ATOM 97 CA ASP A 6 4.987 -10.226 4.682 1.00 0.00 C ATOM 98 C ASP A 6 4.841 -9.174 5.779 1.00 0.00 C ATOM 99 O ASP A 6 4.090 -8.211 5.636 1.00 0.00 O ATOM 100 CB ASP A 6 3.859 -11.267 4.811 1.00 0.00 C ATOM 101 CG ASP A 6 4.208 -12.623 4.219 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.720 -12.659 3.081 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.969 -13.644 4.895 1.00 0.00 O ATOM 0 H ASP A 6 6.319 -11.848 4.861 1.00 0.00 H new ATOM 0 HA ASP A 6 4.894 -9.759 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.612 -11.393 5.865 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.965 -10.884 4.318 1.00 0.00 H new ATOM 108 N GLU A 7 5.581 -9.357 6.870 1.00 0.00 N ATOM 109 CA GLU A 7 5.541 -8.415 7.978 1.00 0.00 C ATOM 110 C GLU A 7 6.234 -7.116 7.590 1.00 0.00 C ATOM 111 O GLU A 7 5.774 -6.028 7.932 1.00 0.00 O ATOM 112 CB GLU A 7 6.202 -9.023 9.219 1.00 0.00 C ATOM 113 CG GLU A 7 5.206 -9.542 10.243 1.00 0.00 C ATOM 114 CD GLU A 7 4.696 -10.930 9.911 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.528 -11.854 9.790 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.466 -11.094 9.772 1.00 0.00 O ATOM 0 H GLU A 7 6.212 -10.146 7.007 1.00 0.00 H new ATOM 0 HA GLU A 7 4.499 -8.197 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.853 -9.841 8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.836 -8.271 9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.677 -9.558 11.226 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.362 -8.854 10.304 1.00 0.00 H new ATOM 123 N LEU A 8 7.335 -7.245 6.862 1.00 0.00 N ATOM 124 CA LEU A 8 8.096 -6.089 6.407 1.00 0.00 C ATOM 125 C LEU A 8 7.435 -5.456 5.189 1.00 0.00 C ATOM 126 O LEU A 8 7.443 -4.237 5.025 1.00 0.00 O ATOM 127 CB LEU A 8 9.527 -6.495 6.073 1.00 0.00 C ATOM 128 CG LEU A 8 10.478 -6.502 7.265 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.627 -5.101 7.837 1.00 0.00 C ATOM 130 CD2 LEU A 8 9.986 -7.469 8.331 1.00 0.00 C ATOM 0 H LEU A 8 7.723 -8.143 6.573 1.00 0.00 H new ATOM 0 HA LEU A 8 8.116 -5.354 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.514 -7.490 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.917 -5.814 5.317 1.00 0.00 H new ATOM 0 HG LEU A 8 11.458 -6.837 6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.309 -5.126 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.025 -4.436 7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.653 -4.736 8.164 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.676 -7.462 9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.996 -7.164 8.669 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.933 -8.475 7.914 1.00 0.00 H new ATOM 142 N LEU A 9 6.859 -6.300 4.338 1.00 0.00 N ATOM 143 CA LEU A 9 6.188 -5.834 3.132 1.00 0.00 C ATOM 144 C LEU A 9 4.869 -5.160 3.477 1.00 0.00 C ATOM 145 O LEU A 9 4.542 -4.097 2.945 1.00 0.00 O ATOM 146 CB LEU A 9 5.951 -7.006 2.174 1.00 0.00 C ATOM 147 CG LEU A 9 5.163 -6.669 0.906 1.00 0.00 C ATOM 148 CD1 LEU A 9 6.065 -6.004 -0.122 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.528 -7.925 0.326 1.00 0.00 C ATOM 0 H LEU A 9 6.844 -7.312 4.463 1.00 0.00 H new ATOM 0 HA LEU A 9 6.829 -5.101 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.918 -7.416 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.421 -7.792 2.712 1.00 0.00 H new ATOM 0 HG LEU A 9 4.369 -5.970 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.487 -5.772 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.475 -5.084 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.880 -6.679 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.971 -7.668 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.307 -8.646 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.850 -8.362 1.059 1.00 0.00 H new ATOM 161 N ILE A 10 4.117 -5.777 4.377 1.00 0.00 N ATOM 162 CA ILE A 10 2.839 -5.225 4.793 1.00 0.00 C ATOM 163 C ILE A 10 3.054 -3.987 5.652 1.00 0.00 C ATOM 164 O ILE A 10 2.289 -3.027 5.579 1.00 0.00 O ATOM 165 CB ILE A 10 1.992 -6.272 5.542 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.687 -7.435 4.605 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.694 -5.667 6.066 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.365 -8.713 5.328 1.00 0.00 C ATOM 0 H ILE A 10 4.369 -6.655 4.830 1.00 0.00 H new ATOM 0 HA ILE A 10 2.287 -4.937 3.898 1.00 0.00 H new ATOM 0 HB ILE A 10 2.561 -6.627 6.401 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.847 -7.166 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.544 -7.601 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.121 -6.433 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.924 -4.853 6.753 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.109 -5.283 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.158 -9.499 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.214 -9.005 5.947 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.490 -8.563 5.960 1.00 0.00 H new ATOM 180 N GLU A 11 4.114 -4.008 6.450 1.00 0.00 N ATOM 181 CA GLU A 11 4.442 -2.874 7.298 1.00 0.00 C ATOM 182 C GLU A 11 4.732 -1.647 6.446 1.00 0.00 C ATOM 183 O GLU A 11 4.508 -0.518 6.876 1.00 0.00 O ATOM 184 CB GLU A 11 5.645 -3.194 8.180 1.00 0.00 C ATOM 185 CG GLU A 11 5.276 -3.804 9.522 1.00 0.00 C ATOM 186 CD GLU A 11 5.295 -2.789 10.649 1.00 0.00 C ATOM 187 OE1 GLU A 11 4.402 -1.916 10.677 1.00 0.00 O ATOM 188 OE2 GLU A 11 6.202 -2.869 11.505 1.00 0.00 O ATOM 0 H GLU A 11 4.758 -4.795 6.526 1.00 0.00 H new ATOM 0 HA GLU A 11 3.586 -2.665 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.302 -3.881 7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.212 -2.279 8.351 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.283 -4.248 9.454 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.971 -4.611 9.753 1.00 0.00 H new ATOM 195 N SER A 12 5.219 -1.876 5.228 1.00 0.00 N ATOM 196 CA SER A 12 5.520 -0.782 4.316 1.00 0.00 C ATOM 197 C SER A 12 4.225 -0.201 3.771 1.00 0.00 C ATOM 198 O SER A 12 4.039 1.016 3.743 1.00 0.00 O ATOM 199 CB SER A 12 6.408 -1.267 3.168 1.00 0.00 C ATOM 200 OG SER A 12 7.587 -1.882 3.659 1.00 0.00 O ATOM 0 H SER A 12 5.412 -2.805 4.854 1.00 0.00 H new ATOM 0 HA SER A 12 6.060 -0.007 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.855 -1.975 2.551 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.673 -0.425 2.528 1.00 0.00 H new ATOM 0 HG SER A 12 7.371 -2.771 4.009 1.00 0.00 H new ATOM 206 N TYR A 13 3.321 -1.083 3.359 1.00 0.00 N ATOM 207 CA TYR A 13 2.029 -0.659 2.839 1.00 0.00 C ATOM 208 C TYR A 13 1.233 0.032 3.936 1.00 0.00 C ATOM 209 O TYR A 13 0.547 1.024 3.694 1.00 0.00 O ATOM 210 CB TYR A 13 1.245 -1.859 2.308 1.00 0.00 C ATOM 211 CG TYR A 13 -0.036 -1.479 1.600 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.007 -0.799 0.389 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.274 -1.797 2.144 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.175 -0.447 -0.260 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.447 -1.448 1.502 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.392 -0.774 0.300 1.00 0.00 C ATOM 217 OH TYR A 13 -3.557 -0.424 -0.343 1.00 0.00 O ATOM 0 H TYR A 13 3.460 -2.093 3.375 1.00 0.00 H new ATOM 0 HA TYR A 13 2.196 0.039 2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.878 -2.420 1.621 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.008 -2.524 3.138 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.944 -0.541 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.321 -2.326 3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.135 0.082 -1.201 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.401 -1.702 1.939 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.325 -0.729 0.183 1.00 0.00 H new ATOM 227 N PHE A 14 1.343 -0.502 5.148 1.00 0.00 N ATOM 228 CA PHE A 14 0.646 0.056 6.298 1.00 0.00 C ATOM 229 C PHE A 14 1.294 1.370 6.723 1.00 0.00 C ATOM 230 O PHE A 14 0.612 2.366 6.965 1.00 0.00 O ATOM 231 CB PHE A 14 0.661 -0.951 7.453 1.00 0.00 C ATOM 232 CG PHE A 14 -0.237 -2.159 7.263 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.841 -2.432 6.039 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.468 -3.027 8.319 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.652 -3.541 5.879 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.277 -4.138 8.162 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.870 -4.395 6.941 1.00 0.00 C ATOM 0 H PHE A 14 1.910 -1.323 5.358 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.389 0.259 6.023 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.684 -1.297 7.600 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.364 -0.437 8.367 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.674 -1.769 5.203 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.010 -2.833 9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.115 -3.739 4.923 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.445 -4.805 8.995 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.502 -5.262 6.818 1.00 0.00 H new ATOM 247 N LYS A 15 2.621 1.363 6.798 1.00 0.00 N ATOM 248 CA LYS A 15 3.378 2.548 7.179 1.00 0.00 C ATOM 249 C LYS A 15 3.228 3.641 6.130 1.00 0.00 C ATOM 250 O LYS A 15 3.124 4.821 6.460 1.00 0.00 O ATOM 251 CB LYS A 15 4.858 2.199 7.351 1.00 0.00 C ATOM 252 CG LYS A 15 5.166 1.470 8.648 1.00 0.00 C ATOM 253 CD LYS A 15 5.106 2.407 9.843 1.00 0.00 C ATOM 254 CE LYS A 15 3.778 2.296 10.573 1.00 0.00 C ATOM 255 NZ LYS A 15 3.936 2.470 12.043 1.00 0.00 N ATOM 0 H LYS A 15 3.196 0.545 6.599 1.00 0.00 H new ATOM 0 HA LYS A 15 2.983 2.914 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.176 1.580 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.446 3.116 7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.454 0.656 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.157 1.020 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 15 5.920 2.175 10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.254 3.434 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.089 3.049 10.190 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.332 1.323 10.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.008 2.387 12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.573 1.736 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 4.338 3.409 12.240 1.00 0.00 H new ATOM 269 N ALA A 16 3.227 3.236 4.865 1.00 0.00 N ATOM 270 CA ALA A 16 3.102 4.175 3.761 1.00 0.00 C ATOM 271 C ALA A 16 1.715 4.800 3.704 1.00 0.00 C ATOM 272 O ALA A 16 1.574 5.984 3.409 1.00 0.00 O ATOM 273 CB ALA A 16 3.429 3.487 2.444 1.00 0.00 C ATOM 0 H ALA A 16 3.312 2.260 4.580 1.00 0.00 H new ATOM 0 HA ALA A 16 3.817 4.980 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.331 4.201 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.451 3.108 2.475 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.739 2.658 2.286 1.00 0.00 H new ATOM 279 N THR A 17 0.692 4.004 3.988 1.00 0.00 N ATOM 280 CA THR A 17 -0.677 4.502 3.966 1.00 0.00 C ATOM 281 C THR A 17 -0.891 5.532 5.069 1.00 0.00 C ATOM 282 O THR A 17 -1.675 6.469 4.915 1.00 0.00 O ATOM 283 CB THR A 17 -1.670 3.350 4.123 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.370 2.581 5.273 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.690 2.412 2.935 1.00 0.00 C ATOM 0 H THR A 17 0.783 3.018 4.234 1.00 0.00 H new ATOM 0 HA THR A 17 -0.849 4.982 3.003 1.00 0.00 H new ATOM 0 HB THR A 17 -2.649 3.822 4.210 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.528 2.894 5.666 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.415 1.618 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.969 2.966 2.039 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.700 1.976 2.799 1.00 0.00 H new ATOM 293 N GLU A 18 -0.193 5.348 6.185 1.00 0.00 N ATOM 294 CA GLU A 18 -0.308 6.257 7.321 1.00 0.00 C ATOM 295 C GLU A 18 0.409 7.579 7.055 1.00 0.00 C ATOM 296 O GLU A 18 -0.124 8.653 7.334 1.00 0.00 O ATOM 297 CB GLU A 18 0.252 5.595 8.585 1.00 0.00 C ATOM 298 CG GLU A 18 -0.824 5.122 9.549 1.00 0.00 C ATOM 299 CD GLU A 18 -0.466 5.387 10.998 1.00 0.00 C ATOM 300 OE1 GLU A 18 0.208 4.530 11.609 1.00 0.00 O ATOM 301 OE2 GLU A 18 -0.857 6.451 11.522 1.00 0.00 O ATOM 0 H GLU A 18 0.459 4.577 6.327 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.365 6.476 7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.870 4.745 8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.903 6.303 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.763 5.622 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.988 4.054 9.409 1.00 0.00 H new ATOM 308 N MET A 19 1.622 7.491 6.528 1.00 0.00 N ATOM 309 CA MET A 19 2.420 8.674 6.237 1.00 0.00 C ATOM 310 C MET A 19 2.061 9.299 4.886 1.00 0.00 C ATOM 311 O MET A 19 2.461 10.426 4.593 1.00 0.00 O ATOM 312 CB MET A 19 3.905 8.309 6.262 1.00 0.00 C ATOM 313 CG MET A 19 4.356 7.448 5.091 1.00 0.00 C ATOM 314 SD MET A 19 6.150 7.273 5.008 1.00 0.00 S ATOM 315 CE MET A 19 6.331 5.520 5.324 1.00 0.00 C ATOM 0 H MET A 19 2.077 6.609 6.292 1.00 0.00 H new ATOM 0 HA MET A 19 2.202 9.416 7.006 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.493 9.227 6.271 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.122 7.782 7.191 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.902 6.461 5.175 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.994 7.887 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.390 5.264 5.358 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.867 5.272 6.279 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.847 4.955 4.528 1.00 0.00 H new ATOM 325 N ASN A 20 1.327 8.558 4.057 1.00 0.00 N ATOM 326 CA ASN A 20 0.940 9.031 2.728 1.00 0.00 C ATOM 327 C ASN A 20 2.137 8.966 1.787 1.00 0.00 C ATOM 328 O ASN A 20 2.347 9.851 0.959 1.00 0.00 O ATOM 329 CB ASN A 20 0.382 10.457 2.777 1.00 0.00 C ATOM 330 CG ASN A 20 -0.575 10.668 3.935 1.00 0.00 C ATOM 331 OD1 ASN A 20 -1.692 10.152 3.934 1.00 0.00 O ATOM 332 ND2 ASN A 20 -0.139 11.430 4.932 1.00 0.00 N ATOM 0 H ASN A 20 0.987 7.623 4.284 1.00 0.00 H new ATOM 0 HA ASN A 20 0.149 8.380 2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.208 11.164 2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.132 10.675 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.738 11.607 5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.795 11.838 4.891 1.00 0.00 H new ATOM 339 N LEU A 21 2.922 7.900 1.935 1.00 0.00 N ATOM 340 CA LEU A 21 4.114 7.685 1.118 1.00 0.00 C ATOM 341 C LEU A 21 3.759 7.713 -0.369 1.00 0.00 C ATOM 342 O LEU A 21 2.595 7.550 -0.735 1.00 0.00 O ATOM 343 CB LEU A 21 4.742 6.335 1.488 1.00 0.00 C ATOM 344 CG LEU A 21 6.253 6.215 1.258 1.00 0.00 C ATOM 345 CD1 LEU A 21 6.858 5.181 2.204 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.557 5.862 -0.197 1.00 0.00 C ATOM 0 H LEU A 21 2.751 7.165 2.621 1.00 0.00 H new ATOM 0 HA LEU A 21 4.829 8.485 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.537 6.137 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.243 5.554 0.914 1.00 0.00 H new ATOM 0 HG LEU A 21 6.708 7.182 1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.931 5.109 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.680 5.484 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.395 4.210 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.635 5.783 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.088 4.910 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.164 6.641 -0.850 1.00 0.00 H new ATOM 358 N ASN A 22 4.766 7.930 -1.221 1.00 0.00 N ATOM 359 CA ASN A 22 4.569 7.990 -2.677 1.00 0.00 C ATOM 360 C ASN A 22 3.611 6.902 -3.176 1.00 0.00 C ATOM 361 O ASN A 22 3.735 5.733 -2.809 1.00 0.00 O ATOM 362 CB ASN A 22 5.914 7.860 -3.393 1.00 0.00 C ATOM 363 CG ASN A 22 5.897 8.485 -4.774 1.00 0.00 C ATOM 364 OD1 ASN A 22 6.171 7.820 -5.773 1.00 0.00 O ATOM 365 ND2 ASN A 22 5.575 9.773 -4.836 1.00 0.00 N ATOM 0 H ASN A 22 5.733 8.068 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 22 4.119 8.957 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.690 8.335 -2.792 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.177 6.806 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.548 10.249 -5.738 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.355 10.285 -3.982 1.00 0.00 H new ATOM 372 N ARG A 23 2.651 7.305 -4.004 1.00 0.00 N ATOM 373 CA ARG A 23 1.660 6.381 -4.549 1.00 0.00 C ATOM 374 C ARG A 23 2.316 5.210 -5.272 1.00 0.00 C ATOM 375 O ARG A 23 1.745 4.123 -5.347 1.00 0.00 O ATOM 376 CB ARG A 23 0.718 7.119 -5.502 1.00 0.00 C ATOM 377 CG ARG A 23 -0.645 6.460 -5.641 1.00 0.00 C ATOM 378 CD ARG A 23 -1.687 7.138 -4.766 1.00 0.00 C ATOM 379 NE ARG A 23 -2.428 8.167 -5.494 1.00 0.00 N ATOM 380 CZ ARG A 23 -3.451 8.853 -4.984 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.864 8.629 -3.741 1.00 0.00 N ATOM 382 NH2 ARG A 23 -4.064 9.769 -5.721 1.00 0.00 N ATOM 0 H ARG A 23 2.538 8.270 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 23 1.090 5.980 -3.711 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.584 8.141 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.184 7.181 -6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.964 6.498 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.570 5.407 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.383 6.390 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.198 7.587 -3.901 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.144 8.373 -6.452 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.397 7.927 -3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.648 9.160 -3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.753 9.947 -6.676 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.847 10.295 -5.333 1.00 0.00 H new ATOM 396 N ASP A 24 3.510 5.433 -5.806 1.00 0.00 N ATOM 397 CA ASP A 24 4.221 4.384 -6.523 1.00 0.00 C ATOM 398 C ASP A 24 4.686 3.291 -5.568 1.00 0.00 C ATOM 399 O ASP A 24 4.666 2.108 -5.909 1.00 0.00 O ATOM 400 CB ASP A 24 5.414 4.966 -7.282 1.00 0.00 C ATOM 401 CG ASP A 24 5.029 5.494 -8.649 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.317 4.777 -9.383 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.438 6.625 -8.987 1.00 0.00 O ATOM 0 H ASP A 24 4.003 6.324 -5.757 1.00 0.00 H new ATOM 0 HA ASP A 24 3.532 3.941 -7.242 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.856 5.772 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.179 4.198 -7.395 1.00 0.00 H new ATOM 408 N PHE A 25 5.088 3.690 -4.367 1.00 0.00 N ATOM 409 CA PHE A 25 5.536 2.738 -3.364 1.00 0.00 C ATOM 410 C PHE A 25 4.331 2.016 -2.784 1.00 0.00 C ATOM 411 O PHE A 25 4.345 0.800 -2.600 1.00 0.00 O ATOM 412 CB PHE A 25 6.313 3.451 -2.256 1.00 0.00 C ATOM 413 CG PHE A 25 7.293 2.564 -1.543 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.270 1.880 -2.250 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.239 2.413 -0.166 1.00 0.00 C ATOM 416 CE1 PHE A 25 9.174 1.064 -1.597 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.140 1.598 0.492 1.00 0.00 C ATOM 418 CZ PHE A 25 9.109 0.923 -0.224 1.00 0.00 C ATOM 0 H PHE A 25 5.112 4.665 -4.067 1.00 0.00 H new ATOM 0 HA PHE A 25 6.202 2.013 -3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.848 4.298 -2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.607 3.855 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.325 1.986 -3.323 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.484 2.939 0.399 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.931 0.537 -2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.087 1.489 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.815 0.286 0.288 1.00 0.00 H new ATOM 428 N ILE A 26 3.274 2.780 -2.526 1.00 0.00 N ATOM 429 CA ILE A 26 2.038 2.226 -1.993 1.00 0.00 C ATOM 430 C ILE A 26 1.468 1.196 -2.966 1.00 0.00 C ATOM 431 O ILE A 26 1.049 0.112 -2.563 1.00 0.00 O ATOM 432 CB ILE A 26 1.001 3.346 -1.728 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.519 4.292 -0.641 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.356 2.767 -1.328 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.554 5.405 -0.287 1.00 0.00 C ATOM 0 H ILE A 26 3.251 3.788 -2.679 1.00 0.00 H new ATOM 0 HA ILE A 26 2.259 1.737 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 26 0.862 3.905 -2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.737 3.714 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.460 4.731 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.060 3.580 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.731 2.132 -2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.246 2.176 -0.419 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.991 6.033 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.354 6.009 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.379 4.975 0.077 1.00 0.00 H new ATOM 447 N GLU A 27 1.469 1.540 -4.249 1.00 0.00 N ATOM 448 CA GLU A 27 0.964 0.640 -5.273 1.00 0.00 C ATOM 449 C GLU A 27 1.938 -0.511 -5.490 1.00 0.00 C ATOM 450 O GLU A 27 1.534 -1.637 -5.778 1.00 0.00 O ATOM 451 CB GLU A 27 0.738 1.397 -6.584 1.00 0.00 C ATOM 452 CG GLU A 27 -0.514 0.965 -7.328 1.00 0.00 C ATOM 453 CD GLU A 27 -1.132 2.090 -8.135 1.00 0.00 C ATOM 454 OE1 GLU A 27 -0.499 2.533 -9.116 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.247 2.529 -7.784 1.00 0.00 O ATOM 0 H GLU A 27 1.813 2.433 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 27 0.010 0.233 -4.938 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.674 2.464 -6.371 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.603 1.252 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.269 0.138 -7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.246 0.592 -6.612 1.00 0.00 H new ATOM 462 N LEU A 28 3.223 -0.215 -5.337 1.00 0.00 N ATOM 463 CA LEU A 28 4.266 -1.216 -5.502 1.00 0.00 C ATOM 464 C LEU A 28 4.158 -2.270 -4.403 1.00 0.00 C ATOM 465 O LEU A 28 4.188 -3.471 -4.675 1.00 0.00 O ATOM 466 CB LEU A 28 5.642 -0.525 -5.489 1.00 0.00 C ATOM 467 CG LEU A 28 6.850 -1.409 -5.156 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.109 -0.853 -5.799 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.025 -1.515 -3.649 1.00 0.00 C ATOM 0 H LEU A 28 3.567 0.715 -5.098 1.00 0.00 H new ATOM 0 HA LEU A 28 4.145 -1.723 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.807 -0.077 -6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.607 0.291 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 28 6.672 -2.407 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.956 -1.493 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.981 -0.821 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.294 0.154 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.886 -2.145 -3.426 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.185 -0.521 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.130 -1.955 -3.209 1.00 0.00 H new ATOM 481 N ILE A 29 4.016 -1.813 -3.164 1.00 0.00 N ATOM 482 CA ILE A 29 3.887 -2.721 -2.036 1.00 0.00 C ATOM 483 C ILE A 29 2.563 -3.469 -2.113 1.00 0.00 C ATOM 484 O ILE A 29 2.464 -4.624 -1.704 1.00 0.00 O ATOM 485 CB ILE A 29 3.978 -1.976 -0.690 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.224 -1.091 -0.646 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.994 -2.968 0.462 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.019 0.202 0.112 1.00 0.00 C ATOM 0 H ILE A 29 3.988 -0.823 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 29 4.715 -3.428 -2.090 1.00 0.00 H new ATOM 0 HB ILE A 29 3.100 -1.338 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.040 -1.648 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.532 -0.860 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.059 -2.428 1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.079 -3.561 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.856 -3.628 0.362 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.943 0.780 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.225 0.780 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.740 -0.020 1.142 1.00 0.00 H new ATOM 500 N GLU A 30 1.548 -2.802 -2.656 1.00 0.00 N ATOM 501 CA GLU A 30 0.231 -3.404 -2.806 1.00 0.00 C ATOM 502 C GLU A 30 0.232 -4.381 -3.976 1.00 0.00 C ATOM 503 O GLU A 30 -0.462 -5.398 -3.952 1.00 0.00 O ATOM 504 CB GLU A 30 -0.828 -2.323 -3.026 1.00 0.00 C ATOM 505 CG GLU A 30 -2.226 -2.741 -2.599 1.00 0.00 C ATOM 506 CD GLU A 30 -3.313 -2.123 -3.458 1.00 0.00 C ATOM 507 OE1 GLU A 30 -3.003 -1.197 -4.239 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.477 -2.563 -3.348 1.00 0.00 O ATOM 0 H GLU A 30 1.615 -1.844 -2.999 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.010 -3.946 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.541 -1.428 -2.474 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.846 -2.054 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.306 -3.827 -2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.384 -2.455 -1.559 1.00 0.00 H new ATOM 515 N ASN A 31 1.021 -4.063 -4.998 1.00 0.00 N ATOM 516 CA ASN A 31 1.124 -4.910 -6.180 1.00 0.00 C ATOM 517 C ASN A 31 1.808 -6.231 -5.847 1.00 0.00 C ATOM 518 O ASN A 31 1.531 -7.256 -6.469 1.00 0.00 O ATOM 519 CB ASN A 31 1.894 -4.181 -7.284 1.00 0.00 C ATOM 520 CG ASN A 31 1.001 -3.282 -8.117 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.093 -3.677 -8.523 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.463 -2.065 -8.377 1.00 0.00 N ATOM 0 H ASN A 31 1.599 -3.223 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 31 0.116 -5.128 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.688 -3.584 -6.836 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.374 -4.914 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 31 0.906 -1.416 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.375 -1.779 -8.021 1.00 0.00 H new ATOM 529 N GLU A 32 2.690 -6.204 -4.853 1.00 0.00 N ATOM 530 CA GLU A 32 3.394 -7.408 -4.432 1.00 0.00 C ATOM 531 C GLU A 32 2.492 -8.231 -3.530 1.00 0.00 C ATOM 532 O GLU A 32 2.339 -9.439 -3.710 1.00 0.00 O ATOM 533 CB GLU A 32 4.690 -7.048 -3.700 1.00 0.00 C ATOM 534 CG GLU A 32 5.725 -8.162 -3.710 1.00 0.00 C ATOM 535 CD GLU A 32 6.468 -8.255 -5.027 1.00 0.00 C ATOM 536 OE1 GLU A 32 5.803 -8.359 -6.079 1.00 0.00 O ATOM 537 OE2 GLU A 32 7.717 -8.225 -5.008 1.00 0.00 O ATOM 0 H GLU A 32 2.933 -5.365 -4.326 1.00 0.00 H new ATOM 0 HA GLU A 32 3.654 -7.993 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.122 -6.159 -4.159 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.455 -6.791 -2.667 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.440 -7.996 -2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.232 -9.113 -3.507 1.00 0.00 H new ATOM 544 N ILE A 33 1.873 -7.551 -2.574 1.00 0.00 N ATOM 545 CA ILE A 33 0.953 -8.190 -1.651 1.00 0.00 C ATOM 546 C ILE A 33 -0.250 -8.733 -2.417 1.00 0.00 C ATOM 547 O ILE A 33 -0.829 -9.755 -2.046 1.00 0.00 O ATOM 548 CB ILE A 33 0.485 -7.189 -0.568 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.689 -6.649 0.204 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.509 -7.827 0.397 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.415 -5.340 0.912 1.00 0.00 C ATOM 0 H ILE A 33 1.995 -6.550 -2.420 1.00 0.00 H new ATOM 0 HA ILE A 33 1.468 -9.014 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.021 -6.367 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.002 -7.391 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.521 -6.512 -0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.814 -7.093 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.384 -8.169 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.040 -8.676 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.313 -5.016 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.131 -4.583 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.604 -5.476 1.627 1.00 0.00 H new ATOM 563 N LYS A 34 -0.616 -8.046 -3.499 1.00 0.00 N ATOM 564 CA LYS A 34 -1.740 -8.463 -4.325 1.00 0.00 C ATOM 565 C LYS A 34 -1.379 -9.717 -5.112 1.00 0.00 C ATOM 566 O LYS A 34 -2.129 -10.693 -5.124 1.00 0.00 O ATOM 567 CB LYS A 34 -2.141 -7.337 -5.278 1.00 0.00 C ATOM 568 CG LYS A 34 -3.165 -6.380 -4.685 1.00 0.00 C ATOM 569 CD LYS A 34 -4.246 -6.016 -5.691 1.00 0.00 C ATOM 570 CE LYS A 34 -5.381 -5.250 -5.032 1.00 0.00 C ATOM 571 NZ LYS A 34 -6.486 -4.963 -5.988 1.00 0.00 N ATOM 0 H LYS A 34 -0.148 -7.199 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.586 -8.690 -3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.250 -6.775 -5.560 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.547 -7.771 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.624 -6.836 -3.808 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.663 -5.474 -4.347 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.814 -5.413 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.637 -6.923 -6.152 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.768 -5.827 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.999 -4.313 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.240 -4.439 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.123 -4.391 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.868 -5.858 -6.356 1.00 0.00 H new ATOM 585 N ARG A 35 -0.215 -9.689 -5.754 1.00 0.00 N ATOM 586 CA ARG A 35 0.255 -10.833 -6.525 1.00 0.00 C ATOM 587 C ARG A 35 0.646 -11.985 -5.599 1.00 0.00 C ATOM 588 O ARG A 35 0.650 -13.147 -6.005 1.00 0.00 O ATOM 589 CB ARG A 35 1.451 -10.434 -7.393 1.00 0.00 C ATOM 590 CG ARG A 35 1.849 -11.496 -8.405 1.00 0.00 C ATOM 591 CD ARG A 35 3.198 -11.188 -9.035 1.00 0.00 C ATOM 592 NE ARG A 35 3.493 -12.076 -10.158 1.00 0.00 N ATOM 593 CZ ARG A 35 4.700 -12.208 -10.710 1.00 0.00 C ATOM 594 NH1 ARG A 35 5.734 -11.512 -10.251 1.00 0.00 N ATOM 595 NH2 ARG A 35 4.872 -13.040 -11.728 1.00 0.00 N ATOM 0 H ARG A 35 0.418 -8.889 -5.755 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.558 -11.165 -7.171 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.214 -9.511 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.303 -10.222 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.888 -12.469 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.089 -11.561 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.210 -10.153 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.980 -11.284 -8.282 1.00 0.00 H new ATOM 0 HE ARG A 35 2.728 -12.629 -10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.609 -10.869 -9.469 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.653 -11.621 -10.680 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.082 -13.577 -12.087 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.794 -13.143 -12.152 1.00 0.00 H new ATOM 609 N ARG A 36 0.971 -11.653 -4.348 1.00 0.00 N ATOM 610 CA ARG A 36 1.361 -12.652 -3.362 1.00 0.00 C ATOM 611 C ARG A 36 0.144 -13.319 -2.707 1.00 0.00 C ATOM 612 O ARG A 36 0.299 -14.111 -1.777 1.00 0.00 O ATOM 613 CB ARG A 36 2.236 -12.001 -2.287 1.00 0.00 C ATOM 614 CG ARG A 36 3.709 -11.938 -2.658 1.00 0.00 C ATOM 615 CD ARG A 36 4.568 -11.557 -1.462 1.00 0.00 C ATOM 616 NE ARG A 36 5.847 -12.265 -1.458 1.00 0.00 N ATOM 617 CZ ARG A 36 6.780 -12.116 -0.518 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.588 -11.286 0.502 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.912 -12.803 -0.597 1.00 0.00 N ATOM 0 H ARG A 36 0.970 -10.695 -3.997 1.00 0.00 H new ATOM 0 HA ARG A 36 1.923 -13.428 -3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.874 -10.990 -2.098 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.128 -12.557 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.030 -12.905 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.853 -11.211 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.749 -10.482 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.028 -11.780 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 36 6.037 -12.913 -2.222 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.720 -10.755 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.309 -11.180 1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.067 -13.443 -1.376 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.628 -12.691 0.121 1.00 0.00 H new ATOM 633 N SER A 37 -1.064 -13.001 -3.181 1.00 0.00 N ATOM 634 CA SER A 37 -2.277 -13.584 -2.616 1.00 0.00 C ATOM 635 C SER A 37 -2.414 -13.204 -1.147 1.00 0.00 C ATOM 636 O SER A 37 -2.894 -13.990 -0.329 1.00 0.00 O ATOM 637 CB SER A 37 -2.258 -15.107 -2.764 1.00 0.00 C ATOM 638 OG SER A 37 -3.464 -15.680 -2.290 1.00 0.00 O ATOM 0 H SER A 37 -1.224 -12.348 -3.948 1.00 0.00 H new ATOM 0 HA SER A 37 -3.134 -13.190 -3.162 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.113 -15.372 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.414 -15.519 -2.211 1.00 0.00 H new ATOM 0 HG SER A 37 -3.652 -15.346 -1.388 1.00 0.00 H new ATOM 644 N LEU A 38 -1.982 -11.992 -0.825 1.00 0.00 N ATOM 645 CA LEU A 38 -2.040 -11.489 0.541 1.00 0.00 C ATOM 646 C LEU A 38 -2.837 -10.185 0.600 1.00 0.00 C ATOM 647 O LEU A 38 -2.621 -9.354 1.483 1.00 0.00 O ATOM 648 CB LEU A 38 -0.622 -11.272 1.061 1.00 0.00 C ATOM 649 CG LEU A 38 -0.464 -11.380 2.574 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.572 -12.831 3.017 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.866 -10.789 3.007 1.00 0.00 C ATOM 0 H LEU A 38 -1.585 -11.335 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.545 -12.221 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.037 -12.001 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.283 -10.285 0.745 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.266 -10.815 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.457 -12.891 4.099 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.547 -13.226 2.733 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.211 -13.417 2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.966 -10.872 4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.679 -11.331 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.909 -9.739 2.719 1.00 0.00 H new ATOM 663 N GLY A 39 -3.762 -10.014 -0.347 1.00 0.00 N ATOM 664 CA GLY A 39 -4.582 -8.814 -0.385 1.00 0.00 C ATOM 665 C GLY A 39 -5.607 -8.759 0.735 1.00 0.00 C ATOM 666 O GLY A 39 -6.270 -7.742 0.919 1.00 0.00 O ATOM 0 H GLY A 39 -3.957 -10.687 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.937 -7.938 -0.323 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.097 -8.763 -1.344 1.00 0.00 H new ATOM 670 N HIS A 40 -5.733 -9.841 1.498 1.00 0.00 N ATOM 671 CA HIS A 40 -6.671 -9.867 2.609 1.00 0.00 C ATOM 672 C HIS A 40 -6.025 -9.238 3.838 1.00 0.00 C ATOM 673 O HIS A 40 -6.697 -8.612 4.658 1.00 0.00 O ATOM 674 CB HIS A 40 -7.108 -11.296 2.913 1.00 0.00 C ATOM 675 CG HIS A 40 -8.382 -11.379 3.694 1.00 0.00 C ATOM 676 ND1 HIS A 40 -9.629 -11.377 3.104 1.00 0.00 N ATOM 677 CD2 HIS A 40 -8.600 -11.467 5.028 1.00 0.00 C ATOM 678 CE1 HIS A 40 -10.557 -11.460 4.040 1.00 0.00 C ATOM 679 NE2 HIS A 40 -9.959 -11.517 5.216 1.00 0.00 N ATOM 0 H HIS A 40 -5.202 -10.702 1.367 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.557 -9.294 2.335 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.231 -11.837 1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -6.317 -11.799 3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -7.845 -11.493 5.800 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.624 -11.478 3.872 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.430 -11.587 6.118 1.00 0.00 H new ATOM 688 N ILE A 41 -4.706 -9.395 3.944 1.00 0.00 N ATOM 689 CA ILE A 41 -3.949 -8.833 5.050 1.00 0.00 C ATOM 690 C ILE A 41 -4.087 -7.306 5.057 1.00 0.00 C ATOM 691 O ILE A 41 -4.098 -6.668 6.109 1.00 0.00 O ATOM 692 CB ILE A 41 -2.452 -9.257 4.957 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.809 -9.259 6.344 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.657 -8.375 3.990 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.493 -10.199 7.309 1.00 0.00 C ATOM 0 H ILE A 41 -4.141 -9.911 3.270 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.350 -9.220 5.987 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.427 -10.270 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.760 -9.541 6.252 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.833 -8.248 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.620 -8.710 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.090 -8.446 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.694 -7.339 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.991 -10.156 8.276 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.535 -9.904 7.428 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.446 -11.216 6.921 1.00 0.00 H new ATOM 707 N ILE A 42 -4.195 -6.743 3.855 1.00 0.00 N ATOM 708 CA ILE A 42 -4.338 -5.304 3.676 1.00 0.00 C ATOM 709 C ILE A 42 -5.785 -4.875 3.857 1.00 0.00 C ATOM 710 O ILE A 42 -6.706 -5.670 3.667 1.00 0.00 O ATOM 711 CB ILE A 42 -3.858 -4.846 2.276 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.444 -5.722 1.166 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.347 -4.851 2.201 1.00 0.00 C ATOM 714 CD1 ILE A 42 -4.057 -5.270 -0.225 1.00 0.00 C ATOM 0 H ILE A 42 -4.186 -7.271 2.982 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.714 -4.834 4.436 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.216 -3.827 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.112 -6.750 1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.531 -5.723 1.250 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.031 -4.526 1.210 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.943 -4.171 2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.977 -5.859 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.507 -5.935 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.413 -4.253 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.972 -5.296 -0.327 1.00 0.00 H new ATOM 726 N SER A 43 -5.986 -3.613 4.215 1.00 0.00 N ATOM 727 CA SER A 43 -7.330 -3.086 4.405 1.00 0.00 C ATOM 728 C SER A 43 -7.975 -2.789 3.054 1.00 0.00 C ATOM 729 O SER A 43 -8.277 -1.640 2.730 1.00 0.00 O ATOM 730 CB SER A 43 -7.292 -1.822 5.268 1.00 0.00 C ATOM 731 OG SER A 43 -8.541 -1.152 5.247 1.00 0.00 O ATOM 0 H SER A 43 -5.239 -2.939 4.379 1.00 0.00 H new ATOM 0 HA SER A 43 -7.929 -3.837 4.920 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.035 -2.086 6.294 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.511 -1.154 4.905 1.00 0.00 H new ATOM 0 HG SER A 43 -8.763 -0.902 4.326 1.00 0.00 H new ATOM 737 N VAL A 44 -8.167 -3.839 2.263 1.00 0.00 N ATOM 738 CA VAL A 44 -8.754 -3.708 0.937 1.00 0.00 C ATOM 739 C VAL A 44 -10.002 -4.570 0.798 1.00 0.00 C ATOM 740 O VAL A 44 -10.201 -5.518 1.557 1.00 0.00 O ATOM 741 CB VAL A 44 -7.740 -4.114 -0.148 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.277 -3.825 -1.537 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.421 -3.399 0.070 1.00 0.00 C ATOM 0 H VAL A 44 -7.923 -4.795 2.520 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.030 -2.662 0.806 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.574 -5.189 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.539 -4.122 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.198 -4.386 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.481 -2.759 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.714 -3.696 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.579 -2.322 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.020 -3.665 1.048 1.00 0.00 H new ATOM 753 N SER A 45 -10.836 -4.241 -0.182 1.00 0.00 N ATOM 754 CA SER A 45 -12.056 -4.996 -0.422 1.00 0.00 C ATOM 755 C SER A 45 -11.885 -5.925 -1.619 1.00 0.00 C ATOM 756 O SER A 45 -12.170 -5.550 -2.756 1.00 0.00 O ATOM 757 CB SER A 45 -13.231 -4.047 -0.662 1.00 0.00 C ATOM 758 OG SER A 45 -13.911 -3.758 0.546 1.00 0.00 O ATOM 0 H SER A 45 -10.689 -3.459 -0.820 1.00 0.00 H new ATOM 0 HA SER A 45 -12.264 -5.599 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 45 -12.869 -3.121 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.924 -4.495 -1.374 1.00 0.00 H new ATOM 0 HG SER A 45 -14.656 -3.148 0.364 1.00 0.00 H new ATOM 764 N SER A 46 -11.416 -7.139 -1.351 1.00 0.00 N ATOM 765 CA SER A 46 -11.206 -8.127 -2.403 1.00 0.00 C ATOM 766 C SER A 46 -11.692 -9.503 -1.962 1.00 0.00 C ATOM 767 O SER A 46 -10.955 -10.181 -1.216 1.00 0.00 O ATOM 768 CB SER A 46 -9.724 -8.194 -2.780 1.00 0.00 C ATOM 769 OG SER A 46 -9.429 -7.313 -3.850 1.00 0.00 O ATOM 770 OXT SER A 46 -12.809 -9.893 -2.367 1.00 0.00 O ATOM 0 H SER A 46 -11.174 -7.462 -0.414 1.00 0.00 H new ATOM 0 HA SER A 46 -11.783 -7.820 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.113 -7.937 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.463 -9.214 -3.062 1.00 0.00 H new ATOM 0 HG SER A 46 -8.476 -7.374 -4.070 1.00 0.00 H new TER 776 SER A 46